2-(4-benzoylpiperazin-1-yl)butanenitrile

C15H19N3O — CID 63337423

IUPAC2-(4-benzoylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c1-2-14(12-16)17-8-10-18(11-9-17)15(19)13-6-4-3-5-7-13/h3-7,14H,2,8-11H2,1H3
InChIKeyXXNMPLIHGDEIGO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-benzoylpiperazin-1-yl)butanenitrile

2-(4-benzoylpiperazin-1-yl)butanenitrile (PubChem CID 63337423) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)butanenitrile
PubChem CID63337423
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-benzoylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c1-2-14(12-16)17-8-10-18(11-9-17)15(19)13-6-4-3-5-7-13/h3-7,14H,2,8-11H2,1H3
InChIKeyXXNMPLIHGDEIGO-UHFFFAOYSA-N
XLogP1.75
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-bromobenzoyl)piperazin-1-yl]butanenitrile
CID 63337687
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337858
2-[4-(2-phenoxyacetyl)piperazin-1-yl]butanenitrile
CID 63337514
2-[4-(2-hydroxy-3-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337733
2-[4-(2,3-difluorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337429
2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337599
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 63337428
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]butanenitrile
CID 106684825
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337903
2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)butanenitrile (CID 63337423) is 2-(4-benzoylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)butanenitrile is CCC(C#N)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)butanenitrile?
The InChIKey is XXNMPLIHGDEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-14(12-16)17-8-10-18(11-9-17)15(19)13-6-4-3-5-7-13/h3-7,14H,2,8-11H2,1H3.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)butanenitrile?
2-(4-benzoylpiperazin-1-yl)butanenitrile has a molecular weight of 257.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 63337423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).